10-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-octyl-decanoate

Systemtic Name: 10-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-octyl-decanoate Openeye Name: 10-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-octyl-decanoate CAS Name: 10-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-octyldecanoate IUPAC Name: 10-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-octyldecanoate Traditional Name: 10-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-octyl-caprate Formula: C45H79O2- MolecularWeight: 652.10756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)C(=O)[O-]

InChI

InChI=1S/C45H80O2/c1-7-8-9-10-14-17-23-37(43(46)47)24-18-15-12-11-13-16-22-36-29-31-44(5)38(33-36)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h25,34-37,39-42H,7-24,26-33H2,1-6H3,(H,46,47)/p-1